Fig. 3: Variability of the effective ionic conductivity of LLZO due to varied grain boundary properties controlled by their atomistic features. | npj Computational Materials

Fig. 3: Variability of the effective ionic conductivity of LLZO due to varied grain boundary properties controlled by their atomistic features.

From: Microstructural impacts on ionic conductivity of oxide solid electrolytes from a combined atomistic-mesoscale approach

Fig. 3

Dependence of the effective ionic conductivity a on \(E_a^{gb}\) with fixed \(D_0^{gb} = 1.0 \times 10^1\,cm^2\,s^{ - 1}\); and b on \(D_0^{gb}\) with fixed \(E_a^{gb} = 0.52\,eV\). Values for the single-crystal reference case are shown by a solid line for comparison. The gray region in a represents a relevant operating temperature window for which the effective ionic conductivity exhibits appreciable dependence on the atomic-scale grain boundary properties.

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